Works matching IS 01928651 AND DT 2006 AND VI 27 AND IP 16
Results: 9
A distance geometry heuristic for expanding the range of geometries sampled during conformational search.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 16, p. 1962, doi. 10.1002/jcc.20506
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- Article
Diatropicity of tetraazanaphthalenes.
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- Journal of Computational Chemistry, 2006, v. 27, n. 16, p. 1980, doi. 10.1002/jcc.20516
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- Article
Can MM-PBSA calculations predict the specificities of protein kinase inhibitors?
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- Journal of Computational Chemistry, 2006, v. 27, n. 16, p. 1990, doi. 10.1002/jcc.20534
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- Article
Water exchange dynamics of manganese(II), cobalt(II), and nickel(II) ions in aqueous solution.
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- Journal of Computational Chemistry, 2006, v. 27, n. 16, p. 1944, doi. 10.1002/jcc.20462
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- Article
Coupled atomic charge selectivity for optimal ligand-charge distributions at protein binding sites.
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- Journal of Computational Chemistry, 2006, v. 27, n. 16, p. 1899, doi. 10.1002/jcc.20481
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- Article
Comparison of implicit solvent models for the simulation of protein–surface interactions.
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- Journal of Computational Chemistry, 2006, v. 27, n. 16, p. 1908, doi. 10.1002/jcc.20488
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- Article
The use of a generalized born model for the analysis of protein conformational transitions: A comparative study with explicit solvent simulations for chemotaxis Y protein (CheY).
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- Journal of Computational Chemistry, 2006, v. 27, n. 16, p. 1923, doi. 10.1002/jcc.20489
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- Article
Accurate relativistic adapted Gaussian basis sets for Cesium through Radon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models.
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- Journal of Computational Chemistry, 2006, v. 27, n. 16, p. 1970, doi. 10.1002/jcc.20500
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- Article
Characterization of the structure and reactivity of monocopper–oxygen complexes supported by β-diketiminate and anilido-imine ligands.
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- Journal of Computational Chemistry, 2006, v. 27, n. 16, p. 1950, doi. 10.1002/jcc.20502
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- Article